Geometry & MOs

Info

ID:	344525
PubChem CID:	127268109
Reduced:	SO2N4C17H28 (1)
Stoich.:	AB2C4D17E28 (1)
Weight, g/mol:	385.193632
ΔH_f, kcal/mol:	-64.85
Dipole, Da:	3.74
IP(EA), eV:	-9.12(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOC1=NN=C(S1)CN2CCN(CC2)C(=O)CC3CCCCC3

DOS

IR

Vibrations